Information card for entry 7126800

Structure parameters

• Formula: C10 H11 B F4 N2 Se
• Calculated formula: C10 H11 B F4 N2 Se
• Title of publication: A tropylium annulated N-heterocyclic carbene.
• Authors of publication: Appel, Sebastian; Brüggemann, Peter; Ganter, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 63
• Pages of publication: 9020 - 9023
• a: 12.1299 ± 0.0018 Å
• b: 6.2796 ± 0.001 Å
• c: 16.088 ± 0.003 Å
• α: 90°
• β: 94.965 ± 0.006°
• γ: 90°
• Cell volume: 1220.8 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No